# generated using pymatgen
data_FeNiH12(C2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80218385
_cell_length_b   7.87342681
_cell_length_c   7.84897397
_cell_angle_alpha   121.26352646
_cell_angle_beta   100.28266514
_cell_angle_gamma   100.44376560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH12(C2O3)4
_chemical_formula_sum   'Fe1 Ni1 H12 C8 O12'
_cell_volume   334.27664788
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.47832211  0.14035310  0.85271335  1
  Fe  Fe1  1  0.97657350  0.85362063  0.14091589  1
  H  H2  1  0.49441594  0.51125596  0.03177966  1
  H  H3  1  -0.00039780  0.04004879  0.52028806  1
  H  H4  1  0.25085034  0.43333786  0.97452004  1
  H  H5  1  0.75489551  0.98506198  0.44394561  1
  H  H6  1  0.85274143  0.43392081  0.14563768  1
  H  H7  1  0.35927338  0.14864902  0.43548909  1
  H  H8  1  0.81519417  0.20160362  0.09032584  1
  H  H9  1  0.32041905  0.09621243  0.20304091  1
  H  H10  1  0.28486279  0.47572658  0.65638814  1
  H  H11  1  0.78866543  0.65878339  0.47888904  1
  H  H12  1  0.22839334  0.47133809  0.33877506  1
  H  H13  1  0.73517969  0.34219842  0.47220143  1
  C  C14  1  0.26654745  0.77649201  0.87306363  1
  C  C15  1  0.75820195  0.87126091  0.77386901  1
  C  C16  1  0.27089983  0.61372722  0.66181941  1
  C  C17  1  0.76952758  0.66245788  0.61532525  1
  C  C18  1  0.22958879  0.60647988  0.48583060  1
  C  C19  1  0.73165382  0.48631113  0.60757612  1
  C  C20  1  0.16227514  0.75997237  0.45367094  1
  C  C21  1  0.66172077  0.44777720  0.75706722  1
  O  O22  1  0.35967794  0.97370856  0.96697260  1
  O  O23  1  0.85701118  0.96791101  0.97126086  1
  O  O24  1  0.16787751  0.70389333  0.95774195  1
  O  O25  1  0.65356524  0.95167381  0.70136719  1
  O  O26  1  0.20566617  0.95378924  0.60070760  1
  O  O27  1  0.69744676  0.59609675  0.94946702  1
  O  O28  1  0.04969243  0.68106200  0.26381030  1
  O  O29  1  0.55830771  0.25664828  0.68007136  1
  O  O30  1  0.74526354  0.31028913  0.11658064  1
  O  O31  1  0.25265870  0.12453747  0.31421194  1
  O  O32  1  0.37762404  0.40747336  0.02278192  1
  O  O33  1  0.88237488  0.03342397  0.41898524  1
